SCHEMBL584047

SCHEMBL584047

Cc1cccc(Br)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.42
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPT P10636 1/20 0.34
TLR8 Q9NR97 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1343169 0.83 DYRK1A (0.42) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL102473 0.83 CYP1A2 (0.59) CYP1A2CYP2C19ALDH1A1TSHRLMNA
Ethane SCHEMBL2154002 0.80 CYP1A2 (0.57) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL28349620 0.80 CYP1A2 (0.57) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL28227844 0.79 CYP1A2 (0.38) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL1003690 0.74 TSHR (0.62) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL769669 0.74 DYRK1A (0.46) ALDH1A1TSHRLMNADYRK1AKDM4E
SCHEMBL30485186 0.74 TSHR (0.62) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL17796263 0.74 CYP1A2 (0.52) CYP1A2CYP2C19ALDH1A1TSHRLMNA
SCHEMBL26955887 0.74 ALDH1A1 (0.38) ALDH1A1LMNADYRK1AKDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845515-B1 PRODUCTION METHOD FOR CRYSTAL OF REDUCED COENZYME Q10 HAVING EXCELLENT STABILITY KANEKA CORP (JP) 2025-11-12 EP disclosed
WO-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 WO disclosed
CN-112839921-B Process for producing reduced coenzyme Q10 crystals having excellent stability 株式会社钟化 2024-02-20 CN disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
US-11773043-B2 Systems and methods for producing coenzyme Q10 Inner Mongolia Kingdomway Pharmaceutical Co., Ltd. (CN) 2023-10-03 US disclosed
CN-115484903-A Device for the secretion of tears 株式会社普欧威盖特 2022-12-16 CN disclosed
US-11498893-B2 Production method for crystal of reduced coenzyme Q10 having excellent stability KANEKA CORPORATION (JP) 2022-11-15 US disclosed
US-11453633-B2 Production method for crystal of reduced coenzyme Q10 having excellent stability KANEKA CORPORATION (JP) 2022-09-27 US disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 US disclosed
EP-1465888-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2004-10-13 EP disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 US disclosed
WO-2003059289-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2003-07-24 WO disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R CYP1A2 585/4885CYP2C19 467/4885ALDH1A1 1474/4885
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 CYP1A2 853/4885CYP2C19 475/4885ALDH1A1 916/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.